(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride

C12H25ClN2O2 — CID 119321485

IUPAC(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride
SMILESCCCOC1CCCN(C(=O)[C@H](C)N)CC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-3-9-16-11-5-4-7-14(8-6-11)12(15)10(2)13;/h10-11H,3-9,13H2,1-2H3;1H/t10-,11?;/m0./s1
InChIKeyKIPDQOYJHKCGDC-JMFXEUCVSA-N
MW264.80 g/mol
LogP1.56
Rot. Bonds4

About (2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride

(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride (PubChem CID 119321485) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride
PubChem CID119321485
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride
SMILESCCCOC1CCCN(C(=O)[C@H](C)N)CC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-3-9-16-11-5-4-7-14(8-6-11)12(15)10(2)13;/h10-11H,3-9,13H2,1-2H3;1H/t10-,11?;/m0./s1
InChIKeyKIPDQOYJHKCGDC-JMFXEUCVSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one;hydrochloride
CID 119780029
(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 119337265
2-amino-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169570
2-amino-2-methyl-1-(4-propoxyazepan-1-yl)propan-1-one
CID 119321488
(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
CID 119312938
(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one
CID 119337266
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423
4-(4-propoxyazepane-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120673560
2-amino-4-methoxy-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 62473426
(4-propoxyazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119321499
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
CID 119299189
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(4R)-4-propoxyazepan-1-yl]methanone
CID 125118450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride (CID 119321485) is (2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride is CCCOC1CCCN(C(=O)[C@H](C)N)CC1.Cl.
What is the InChIKey of (2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride?
The InChIKey is KIPDQOYJHKCGDC-JMFXEUCVSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-3-9-16-11-5-4-7-14(8-6-11)12(15)10(2)13;/h10-11H,3-9,13H2,1-2H3;1H/t10-,11?;/m0./s1.
What are the key properties of (2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride?
(2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-propoxyazepan-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119321485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).